SCHEMBL11612435

SCHEMBL11612435

O=C1C(=O)N(c2ccc(N=Nc3ccccc3)cc2)C(=O)N1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPA1 O75762 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
MGLL Q99685 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2851080 0.83 MGLL (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2696242 0.78 MGLL (0.65) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2696243 0.78 MGLL (0.65) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL11608974 0.76 MEN1 (0.62) ALDH1A1MEN1KMT2AMGLLSMN1; SMN2
SCHEMBL11604846 0.76 F2 (0.68) ALDH1A1MEN1KMT2AKDM4EMGLL
SCHEMBL30999722 0.76 KMT2A (0.62) ALDH1A1MEN1KMT2ARAB9AGAA
SCHEMBL2928174 0.74 GAA (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28868331 0.74 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL11182628 0.73 MGLL (0.62) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL16280099 0.73 MGLL (0.62) ALDH1A1MEN1KMT2APKMMGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4099007-A N,N-SUBSTITUTED 2,4,5-TRIKETOIMIDAZOLIDINES AND A PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1978-07-04 US disclosed